ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate

C14H17ClN2O2 — CID 79474797

IUPACethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate
SMILESCCOC(=O)C(C)c1nc2cc(Cl)ccc2n1CC
InChIInChI=1S/C14H17ClN2O2/c1-4-17-12-7-6-10(15)8-11(12)16-13(17)9(3)14(18)19-5-2/h6-9H,4-5H2,1-3H3
InChIKeyKNYCZVZQJVIUJR-UHFFFAOYSA-N
MW280.76 g/mol
LogP3.38
Rot. Bonds4

About ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate

ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate (PubChem CID 79474797) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate
PubChem CID79474797
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Nameethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate
SMILESCCOC(=O)C(C)c1nc2cc(Cl)ccc2n1CC
InChIInChI=1S/C14H17ClN2O2/c1-4-17-12-7-6-10(15)8-11(12)16-13(17)9(3)14(18)19-5-2/h6-9H,4-5H2,1-3H3
InChIKeyKNYCZVZQJVIUJR-UHFFFAOYSA-N
XLogP3.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
ethyl 2-(1-propylbenzimidazol-2-yl)propanoate
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(5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine
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5-chloro-1-ethylbenzimidazole-2-carboxylic acid
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2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole
CID 116682105
5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole
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(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine
CID 61015427
(1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
CID 51977609
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol
CID 82332591
4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60862901
5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240379

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate?
The IUPAC name of ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate (CID 79474797) is ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate?
The canonical SMILES for ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate is CCOC(=O)C(C)c1nc2cc(Cl)ccc2n1CC.
What is the InChIKey of ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate?
The InChIKey is KNYCZVZQJVIUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-4-17-12-7-6-10(15)8-11(12)16-13(17)9(3)14(18)19-5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate?
ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate has a molecular weight of 280.76 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate is sourced from PubChem (CID 79474797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).